N-ethyl-6,7-dimethoxy-1-{[(propan-2-yl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Chemical Structure Depiction of
N-ethyl-6,7-dimethoxy-1-{[(propan-2-yl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
N-ethyl-6,7-dimethoxy-1-{[(propan-2-yl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | V025-0845 |
| Compound Name: | N-ethyl-6,7-dimethoxy-1-{[(propan-2-yl)carbamamido]methyl}-3,4-dihydroisoquinoline-2(1H)-carbothioamide |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C19 H30 N4 O3 S |
| Smiles: | CCNC(N1CCc2cc(c(cc2C1CNC(NC(C)C)=O)OC)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7786 |
| logD: | 1.7786 |
| logSw: | -2.3003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.008 |
| InChI Key: | WUFNUPMPJKDNRF-HNNXBMFYSA-N |